Battery performance, while observed at the macroscale, is primarily governed by the bicontinuous mesoscale network of the active particles and a polymeric conductive binder in its electrodes. Manufacturing processes affect this mesostructure, and therefore battery performance, in ways that are not always clear outside of empirical relationships. Directly studying the role of the mesostructure is difficult due to the small particle sizes (a few microns) and large mesoscale structures. Mesoscale simulation, however, is an emerging technique that allows the investigation into how particle-scale phenomena affect electrode behavior. In this manuscript, we discuss our computational approach for modeling electrochemical, mechanical, and thermal phenomena of lithium-ion batteries at the mesoscale. We review our recent and ongoing simulation investigations and discuss a path forward for additional simulation insights.
Insights Into Lithium-Ion Battery Degradation and Safety Mechanisms From Mesoscale Simulations Using Experimentally Reconstructed Mesostructures
Manuscript received May 16, 2016; final manuscript received July 6, 2016; published online October 20, 2016. Assoc. Editor: Partha Mukherjee.
The United States Government retains, and by accepting the article for publication, the publisher acknowledges that the United States Government retains, a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States government purposes.
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Roberts, S. A., Mendoza, H., Brunini, V. E., Trembacki, B. L., Noble, D. R., and Grillet, A. M. (October 20, 2016). "Insights Into Lithium-Ion Battery Degradation and Safety Mechanisms From Mesoscale Simulations Using Experimentally Reconstructed Mesostructures." ASME. J. Electrochem. En. Conv. Stor. August 2016; 13(3): 031005. https://doi.org/10.1115/1.4034410
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